@MOLECULE 6-[3-[4-(2-methoxy-4-hydroxyphenyl)piperazinyl]propylamino]-1,3-dimethyluracil 58 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.5489 -0.4547 1.9430 O.3 1 UNL1 -0.3479 2 O 6.5103 3.2412 -0.2828 O.3 1 UNL1 -0.4662 3 O -5.4413 1.3694 2.1648 O.2 1 UNL1 -0.5297 4 O -3.8368 2.8067 -1.8434 O.2 1 UNL1 -0.5096 5 N 0.2377 -2.2725 -0.3072 N.3 1 UNL1 -0.4288 6 N 2.6970 -0.8215 -0.1741 N.pl3 1 UNL1 -0.4111 7 N -3.2557 -1.7621 -0.4875 N.pl3 1 UNL1 -0.5225 8 N -4.2820 -0.1308 0.8991 N.ar 1 UNL1 -0.4869 9 N -4.6189 2.1238 0.1637 N.ar 1 UNL1 -0.5271 10 C 0.8367 -1.9250 1.0047 C.3 1 UNL1 -0.1250 11 C 1.3095 -2.4848 -1.3091 C.3 1 UNL1 -0.1229 12 C 1.6408 -0.6125 0.8499 C.3 1 UNL1 -0.1058 13 C 2.0829 -1.1538 -1.4793 C.3 1 UNL1 -0.1109 14 C -0.6549 -3.4499 -0.2014 C.3 1 UNL1 -0.1201 15 C -1.6629 -3.4410 -1.3713 C.3 1 UNL1 -0.3073 16 C 3.6293 0.2609 -0.2066 C.ar 1 UNL1 0.0113 17 C -2.3080 -2.0638 -1.5827 C.3 1 UNL1 -0.0590 18 C 4.5867 0.3387 0.8279 C.ar 1 UNL1 0.2447 19 C 3.6835 1.2142 -1.2329 C.ar 1 UNL1 -0.1349 20 C -3.6290 -0.4405 -0.2987 C.ar 1 UNL1 0.5002 21 C 5.5679 1.3296 0.8434 C.ar 1 UNL1 -0.3551 22 C 4.6585 2.2039 -1.2479 C.ar 1 UNL1 -0.2489 23 C 5.5866 2.2484 -0.2041 C.ar 1 UNL1 0.2925 24 C -3.4551 0.5414 -1.2478 C.ar 1 UNL1 -0.5872 25 C -4.8345 1.1598 1.1335 C.ar 1 UNL1 0.7099 26 C -3.9398 1.8776 -1.0744 C.ar 1 UNL1 0.6539 27 C -4.5529 -1.1546 1.9149 C.3 1 UNL1 -0.2355 28 C 4.8372 -1.8290 1.6948 C.3 1 UNL1 -0.1920 29 C -5.1864 3.4566 0.4146 C.3 1 UNL1 -0.2122 30 H 0.0199 -1.7622 1.7392 H 1 UNL1 0.1363 31 H 1.4955 -2.7252 1.4026 H 1 UNL1 0.1251 32 H 2.0136 -3.2950 -1.0233 H 1 UNL1 0.1262 33 H 0.8483 -2.7675 -2.2776 H 1 UNL1 0.1349 34 H 2.1266 -0.3554 1.8181 H 1 UNL1 0.1606 35 H 0.9559 0.2215 0.5811 H 1 UNL1 0.1414 36 H 1.3859 -0.3669 -1.8440 H 1 UNL1 0.1381 37 H 2.8871 -1.2843 -2.2339 H 1 UNL1 0.1425 38 H -0.1030 -4.4143 -0.1915 H 1 UNL1 0.1202 39 H -1.2054 -3.4002 0.7624 H 1 UNL1 0.1289 40 H -1.1524 -3.7371 -2.3089 H 1 UNL1 0.1519 41 H -2.4362 -4.2133 -1.1991 H 1 UNL1 0.1468 42 H -2.8788 -2.0453 -2.5401 H 1 UNL1 0.1490 43 H -1.5082 -1.2810 -1.6449 H 1 UNL1 0.1771 44 H 2.9437 1.1954 -2.0335 H 1 UNL1 0.1610 45 H -3.1554 -2.3561 0.3257 H 1 UNL1 0.3006 46 H 6.2836 1.3661 1.6575 H 1 UNL1 0.1791 47 H 4.7052 2.9415 -2.0454 H 1 UNL1 0.1801 48 H -2.9452 0.3561 -2.1868 H 1 UNL1 0.2079 49 H -5.1412 -1.9894 1.4954 H 1 UNL1 0.1498 50 H -3.6121 -1.5275 2.3545 H 1 UNL1 0.1439 51 H -5.1513 -0.7261 2.7503 H 1 UNL1 0.1974 52 H 4.7992 -2.2602 2.7016 H 1 UNL1 0.1427 53 H 4.0787 -2.2809 1.0448 H 1 UNL1 0.1539 54 H 5.8338 -1.9334 1.2577 H 1 UNL1 0.1278 55 H 7.1232 3.2397 0.4918 H 1 UNL1 0.3268 56 H -6.2448 3.4908 0.1027 H 1 UNL1 0.1484 57 H -5.1275 3.7140 1.4876 H 1 UNL1 0.1607 58 H -4.6266 4.2171 -0.1645 H 1 UNL1 0.1749 @BOND 1 42 17 1 2 40 15 1 3 33 11 1 4 37 13 1 5 48 24 1 6 47 22 1 7 44 19 1 8 36 13 1 9 4 26 2 10 43 17 1 11 17 15 1 12 17 7 1 13 13 11 1 14 13 6 1 15 15 41 1 16 15 14 1 17 11 32 1 18 11 5 1 19 22 19 ar 20 22 23 ar 21 24 26 ar 22 24 20 ar 23 19 16 ar 24 26 9 ar 25 7 20 1 26 7 45 1 27 5 14 1 28 5 10 1 29 20 8 ar 30 2 23 1 31 2 55 1 32 16 6 1 33 16 18 ar 34 23 21 ar 35 14 38 1 36 14 39 1 37 6 12 1 38 58 29 1 39 56 29 1 40 9 29 1 41 9 25 ar 42 29 57 1 43 35 12 1 44 18 21 ar 45 18 1 1 46 21 46 1 47 12 10 1 48 12 34 1 49 8 25 ar 50 8 27 1 51 10 31 1 52 10 30 1 53 53 28 1 54 25 3 2 55 54 28 1 56 49 27 1 57 28 1 1 58 28 52 1 59 27 50 1 60 27 51 1